2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid

C14H10FNO5 — CID 107702397

IUPAC2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H10FNO5/c15-10-2-1-3-11(12(10)14(20)21)16-13(19)7-4-8(17)6-9(18)5-7/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyXGHAYZDKABUTMF-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.19
Rot. Bonds3

About 2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid

2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid (PubChem CID 107702397) has the molecular formula C14H10FNO5 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid
PubChem CID107702397
Molecular FormulaC14H10FNO5
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H10FNO5/c15-10-2-1-3-11(12(10)14(20)21)16-13(19)7-4-8(17)6-9(18)5-7/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyXGHAYZDKABUTMF-UHFFFAOYSA-N
XLogP2.19
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-6-fluorobenzoic acid
CID 13389963
2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039
2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid
CID 43442938
2-[(3-bromo-4-chlorobenzoyl)amino]-6-fluorobenzoic acid
CID 107997743
N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
CID 103891425
2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 43442892
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43442816
N-(2-chloro-6-fluorophenyl)-3,5-dihydroxybenzamide
CID 107704313
2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638146
2-[(4,5-dibromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43442741
N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
CID 107805537

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid?
The IUPAC name of 2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid (CID 107702397) is 2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid is O=C(Nc1cccc(F)c1C(=O)O)c1cc(O)cc(O)c1.
What is the InChIKey of 2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid?
The InChIKey is XGHAYZDKABUTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO5/c15-10-2-1-3-11(12(10)14(20)21)16-13(19)7-4-8(17)6-9(18)5-7/h1-6,17-18H,(H,16,19)(H,20,21).
What are the key properties of 2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid?
2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid has a molecular weight of 291.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid is sourced from PubChem (CID 107702397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).